General Information of the Compound
| Compound ID |
CP0535367
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| Compound Name |
4-bromo-N-[2,2-dichloro-1-[(Z)-[(cyanoamino)-[[6-(trifluoromethyl)pyridin-3-yl]amino]methylidene]amino]propyl]benzamide
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| Structure |
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| Formula |
C18H14BrCl2F3N6O
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| Molecular Weight |
538.155
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| Canonical SMILES |
CC(Cl)(Cl)C(N\C(Nc1ccc(nc1)C(F)(F)F)=N\C#N)NC(=O)c1ccc(Br)cc1
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| InChI |
InChI=1S/C18H14BrCl2F3N6O/c1-17(20,21)15(29-14(31)10-2-4-11(19)5-3-10)30-16(27-9-25)28-12-6-7-13(26-8-12)18(22,23)24/h2-8,15H,1H3,(H,29,31)(H2,27,28,30)
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| InChIKey |
JBZYQPVYNMFIDL-UHFFFAOYSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound